2-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol

Systemtic Name: 2-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol Openeye Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-(isopropylsulfanylmethyl)pyrazol-1-yl]ethanol CAS Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-[(propan-2-ylthio)methyl]-1-pyrazolyl]ethanol IUPAC Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol Traditional Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-[(isopropylthio)methyl]pyrazol-1-yl]ethanol Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN(C(=C1C2=NC3=CC=CC=C3S2)N)CCO

Isomeric SMILES

CC(C)SCC1=NN(C(=C1C2=NC3=CC=CC=C3S2)N)CCO

InChI

InChI=1S/C16H20N4OS2/c1-10(2)22-9-12-14(15(17)20(19-12)7-8-21)16-18-11-5-3-4-6-13(11)23-16/h3-6,10,21H,7-9,17H2,1-2H3